Information card for entry 2224264

Structure parameters

• Chemical name: <i>rac</i>-2-Iodo-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Formula: C10 H9 I O
• Calculated formula: C10 H9 I O
• Title of publication: <i>rac</i>-2-Iodo-3,4-dihydronaphthalen-1(2<i>H</i>)-one
• Authors of publication: Raza, Abdul Rauf; Tahir, M. Nawaz; Sultan, Ayesha; Danish, Muhammad; Sohail, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3172
• a: 6.115 ± 0.005 Å
• b: 19.658 ± 0.004 Å
• c: 15.896 ± 0.005 Å
• α: 90°
• β: 90.551 ± 0.005°
• γ: 90°
• Cell volume: 1910.7 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes